N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide

Formula:C24H17N4O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is not a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
MolecularFormula	C24H17N4O3BrS
Smiles	O=C(c(cc1)ccc1Nc1nc(-c2ccccc2)cs1)N/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C24H17BrN4O3S/c25-19-11-22-21(31-14-32-22)10-17(19)12-26-29-23(30)16-6-8-18(9-7-16)27-24-28-20(13-33-24)15-4-2-1-3-5-15/h1-13H,14H2,(H,27,28)(H,29,30)
InChIK	XLOFARNHYSKLDF-UHFFFAOYSA-N
TotalMolweight	521.394
Molweight	521.394
MonoisotopicMass	520.020472
CLogP	6.9441
CLogS	-8.355
H Acceptors	7
H Donors	2
TotalSurfaceArea	351.56
Relative PSA	0.28103
PolarSurfaceArea	113.08
Druglikeness	3.8735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide

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